(2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine

C9H19N — CID 177010091

IUPAC(2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine
SMILESCC[C@@]1(C)C[C@@H](C)CN1C
InChIInChI=1S/C9H19N/c1-5-9(3)6-8(2)7-10(9)4/h8H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyFNUPXSSRHXUYHC-BDAKNGLRSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds1

About (2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine

(2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine (PubChem CID 177010091) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine.

Molecular Properties

Compound Name(2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine
PubChem CID177010091
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine
SMILESCC[C@@]1(C)C[C@@H](C)CN1C
InChIInChI=1S/C9H19N/c1-5-9(3)6-8(2)7-10(9)4/h8H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyFNUPXSSRHXUYHC-BDAKNGLRSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine?
The IUPAC name of (2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine (CID 177010091) is (2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine.
What is the SMILES notation for (2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine?
The canonical SMILES for (2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine is CC[C@@]1(C)C[C@@H](C)CN1C.
What is the InChIKey of (2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine?
The InChIKey is FNUPXSSRHXUYHC-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H19N/c1-5-9(3)6-8(2)7-10(9)4/h8H,5-7H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine?
(2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine is sourced from PubChem (CID 177010091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).